ethyl 3-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(6-methylpyridin-2-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(6-methyl-2-pyridyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-(6-methyl-2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(6-methylpyridin-2-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(6-methyl-2-pyridyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=N3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=CC=CC(=N3)C

InChI

InChI=1S/C20H24N4O2S/c1-3-26-19(25)16-7-5-8-17(14-16)22-20(27)24-12-10-23(11-13-24)18-9-4-6-15(2)21-18/h4-9,14H,3,10-13H2,1-2H3,(H,22,27)